(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid

C13H20NO4P — CID 15939366

IUPAC(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NCP(=O)(O)c1ccccc1)C(=O)O
InChIInChI=1S/C13H20NO4P/c1-10(2)8-12(13(15)16)14-9-19(17,18)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1
InChIKeyMWTSCMOHRFMFIA-GFCCVEGCSA-N
MW285.28 g/mol
LogP1.63
Rot. Bonds7

About (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid

(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid (PubChem CID 15939366) has the molecular formula C13H20NO4P and a molecular weight of 285.28 g/mol. Its IUPAC name is (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid
PubChem CID15939366
Molecular FormulaC13H20NO4P
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Name(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NCP(=O)(O)c1ccccc1)C(=O)O
InChIInChI=1S/C13H20NO4P/c1-10(2)8-12(13(15)16)14-9-19(17,18)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1
InChIKeyMWTSCMOHRFMFIA-GFCCVEGCSA-N
XLogP1.63
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
CID 122044135
(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
CID 129387880
2-[[(1-carboxy-3-methylbutyl)amino]methyl]benzoic acid
CID 66527773
(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid
CID 72736743
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
(2S)-2-(2,4-dimethylpentylamino)-4-methylpentanoic acid
CID 122037109
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 43238546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid (CID 15939366) is (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NCP(=O)(O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid?
The InChIKey is MWTSCMOHRFMFIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20NO4P/c1-10(2)8-12(13(15)16)14-9-19(17,18)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid?
(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid has a molecular weight of 285.28 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 15939366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).